4CH-015674

Chemistry, 2 End Use API, 18 Related Intermediates

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Also known as: 877399-50-3, 1-boc-4-(4-bromopyrazol-1-yl)piperidine, 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester, 1-(4-boc-piperidino)-4-bromopyrazole, 4-(4-bromo-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate

Molecular Formula

C₁₃H₂₀BrN₃O₂

Molecular Weight

330.22 g/mol

InChI Key

IYNZAVDBHAQODX-UHFFFAOYSA-N

1 2D Structure

4CH-015674

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C13H20BrN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3

2.1.3 InChI Key

IYNZAVDBHAQODX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 877399-50-3

2. 1-boc-4-(4-bromopyrazol-1-yl)piperidine

3. 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic Acid Tert-butyl Ester

4. 1-(4-boc-piperidino)-4-bromopyrazole

5. 4-(4-bromo-pyrazol-1-yl)-piperidine-1-carboxylic Acid Tert-butyl Ester

6. Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate

7. 1-boc-4-(4-bromo-1-pyrazolyl)piperidine

8. Mfcd09831980

9. Schembl1427617

10. Ampd00362

11. Dtxsid90670276

12. Bcp07105

13. Cs-m0354

14. Zinc38540571

15. Akos015935064

16. Ac-25089

17. Am804473

18. As-19241

19. Sy043288

20. Db-002076

21. B4391

22. Ft-0699134

23. Ethyleneglycolbis(4-carboxyphenyl)ether

24. 1-(4-boc-1-piperidinyl)-4-bromopyrazole, 98%

25. 272b895

26. A842357

27. N-boc-4-(4-bromopyrazol-1-yl)piperidine

28. 1-tert-butoxycarbonyl-4-(4-bromopyrazol-1-yl)piperidine

29. Tert-butyl4-(4-bromo-1h-pyrazol-1-yl)piperidine-1-carboxylate

30. 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic Acid Tert-butylester

31. Tert-butyl 1-(4-bromo-1h-pyrazol-1-yl)piperidine-4-carboxylate

32. 4-(4-bromo-1h-pyrazole-1-yl)piperidine-1-carboxylic Acid Tert-butyl Ester

33. Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate, Aldrichcpr

34. 1-piperidinecarboxylicacid,4-(4-bromo-1h-pyrazol-1-yl)-,1,1-dimethylethylester

2.3 Create Date

2010-06-03

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀BrN₃O₂
Molecular Weight	330.22 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	329.07389 g/mol
Monoisotopic Mass	329.07389 g/mol
Topological Polar Surface Area	47.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	324
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

877399-50-3

End Use API

Crizotinib

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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